• Formula : ZnTeMoO6
  • Space Group : P2_12_12 (18)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.0442
    b = 5.2642
    c = 8.9187
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 136
  • Band gap = 3.0362 eV
    Direct Gap = 3.097 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 250523

Band structure with spin-orbit coupling